NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8870 8.4444 117.8468 55.9198 30.2005 172.1108 6 F 4.7795 8.4814 123.3401 55.9350 42.4004 172.5855 7 F 4.1758 7.2216 127.5386 56.1110 42.8840 173.3501 8 E 3.9764 7.5991 129.1315 54.8381 28.7287 175.9709 9 G 3.8011 8.5436 116.5617 48.5242 0.0000 173.2569 10 T 3.7983 7.8736 115.5038 64.2344 68.7931 173.1998 11 E 4.6151 8.5694 124.9246 54.7475 31.6711 175.2086 12 K 4.4842 8.3217 120.1358 54.6861 33.6905 175.8441 13 L 4.6551 8.4350 125.0658 52.8925 44.0937 174.9807 14 L 4.7041 8.4866 127.0351 53.0428 44.3779 174.8390 15 E 4.6040 8.7582 125.8690 54.2250 32.3013 174.6608 16 V 4.3049 8.1582 124.5680 60.7167 34.4455 174.1242 17 W 4.5281 8.7182 126.5454 55.0358 30.5065 175.6850 18 F 4.8877 8.6739 122.2946 56.4189 40.5213 175.0131 19 S 4.7655 8.3652 114.1500 57.8462 65.3540 174.9970 20 R 4.8287 7.9214 121.9154 57.4422 32.0947 175.5347 21 Q 4.6115 8.3994 120.0924 57.5664 30.0990 174.2400 *27 Q 4.1712 8.2392 116.3610 55.2260 30.4429 173.8184 28 G 4.0211 7.9704 103.6366 43.4197 0.0000 174.2841 29 S 4.1358 8.4413 117.7994 59.0109 63.4820 174.9571 30 G 3.8653 8.9128 107.9490 45.7862 0.0000 172.6180 31 D 4.6295 7.7689 118.9142 52.3718 44.5000 176.2176 32 L 4.0902 8.7192 126.6745 57.7088 41.9683 179.5018 33 R 4.1831 8.4479 117.3401 59.2427 30.1170 178.1924 34 T 3.9225 7.6718 113.8495 66.1369 68.5447 174.6139 35 I 3.5129 7.4795 122.8320 60.2875 37.0968 174.3146 36 P 4.4257 0.0000 0.0000 62.2800 32.0666 177.1306 37 R 4.1598 8.8438 119.7147 60.1389 29.8755 178.9254 38 S 4.1389 8.0706 114.2245 61.7710 62.7743 176.4356 39 E 3.8938 7.8547 121.2108 59.0092 29.0025 179.4681 40 W 4.5291 7.8063 118.6257 59.9663 28.9607 178.0859 41 D 4.4188 8.2576 117.9862 57.3406 40.5038 178.7910 42 I 3.8701 7.7498 120.1684 64.3161 37.2048 178.0841 43 L 3.9845 8.1782 121.4241 58.3696 41.9875 179.0170 44 L 4.2306 8.4020 118.5332 57.1028 41.5167 179.5650 45 K 4.0323 7.9516 119.2247 59.5379 31.7674 178.9589 46 D 4.4522 7.6406 116.6004 56.7506 40.7982 178.2671 47 V 3.7812 7.6393 116.9244 62.8612 32.3931 174.9306 48 Q 3.6289 8.6496 115.8888 56.4050 25.6990 171.4901 49 C 4.9345 7.9330 111.0680 58.1548 33.5370 173.2193 50 S 4.6597 8.8875 112.6347 57.3495 66.4689 173.5378 51 I 4.5711 8.3260 121.8820 61.2241 36.9337 176.0533 52 I 4.4752 8.7100 119.8132 61.1877 39.7031 175.5735 53 S 4.7107 7.7636 116.0739 57.0783 65.8446 172.8697 54 V 4.6598 8.1491 123.9045 61.5057 34.8325 174.6896 55 T 4.5290 8.6716 123.3059 61.9582 72.5816 172.7237 56 K 4.8236 8.7205 126.1217 54.7748 34.3781 175.9141 57 T 4.6232 8.3882 115.4606 59.4959 71.4973 173.9130 58 D 4.4769 8.6784 120.2594 57.2586 40.7908 178.0359 59 K 4.3346 7.8776 116.2511 57.4400 33.0658 176.1533 60 Q 4.5877 7.7382 115.0977 55.0148 31.4343 172.5430 61 E 4.9572 8.6590 117.8967 54.5311 31.9634 175.2479 62 A 4.7931 8.7924 126.7441 50.3573 21.7076 174.9864 63 Y 5.0150 8.5053 118.1107 56.1137 41.7841 174.9621 64 V 4.3390 8.6598 123.2743 61.3768 33.5690 175.0487 65 L 5.2802 8.4418 127.1540 53.7403 44.3031 175.3254 66 S 4.6403 8.8391 113.5780 57.2540 66.3934 174.0633 67 E 4.2704 8.7093 123.2249 56.6567 29.4678 176.3284 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 H 8.44 4.89 0.00 3.23 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.48 4.78 0.00 3.04 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.22 4.18 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.60 3.98 0.00 1.97 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 9 G 8.54 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.87 3.80 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 11 E 8.57 4.62 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 12 K 8.32 4.48 0.00 1.73 1.73 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 13 L 8.44 4.66 0.00 1.57 1.53 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.49 4.70 0.00 1.57 1.49 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.76 4.60 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 16 V 8.16 4.30 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.88 0.00 0.00 17 W 8.72 4.53 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.67 4.89 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.37 4.77 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.92 4.83 0.00 1.84 1.95 0.00 3.27 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 21 Q 8.40 4.61 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.61 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 *27 Q 8.24 4.17 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 28 G 7.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.44 4.14 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.77 4.63 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.72 4.09 0.00 1.82 1.86 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.45 4.18 0.00 2.01 2.06 0.00 3.26 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.99 0.00 34 T 7.67 3.92 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 35 I 7.48 3.51 1.65 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.45 -0.36 0.00 0.00 36 P 0.00 4.43 0.00 2.16 2.13 0.00 3.46 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 37 R 8.84 4.16 0.00 2.11 2.07 0.00 3.42 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 0.00 38 S 8.07 4.14 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.85 3.89 0.00 1.56 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 40 W 7.81 4.53 0.00 3.46 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.26 4.42 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.75 3.87 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.88 0.90 0.00 0.00 43 L 8.18 3.98 0.00 1.84 2.08 1.16 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.40 4.23 0.00 1.80 1.89 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.95 4.03 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.83 7.81 46 D 7.64 4.45 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.64 3.78 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.98 0.00 0.00 48 Q 8.65 3.63 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.37 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 49 C 7.93 4.93 0.00 3.15 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.89 4.66 0.00 3.89 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.33 4.57 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.52 1.11 0.00 0.00 52 I 8.71 4.48 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.92 0.00 0.00 53 S 7.76 4.71 0.00 3.87 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.15 4.66 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.99 0.00 0.00 55 T 8.67 4.53 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 56 K 8.72 4.82 0.00 1.55 1.66 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.26 7.81 57 T 8.39 4.62 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 58 D 8.68 4.48 0.00 2.69 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.88 4.33 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 60 Q 7.74 4.59 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 61 E 8.66 4.96 0.00 1.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 62 A 8.79 4.79 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.51 5.01 0.00 2.65 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.66 4.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.91 0.00 0.00 65 L 8.44 5.28 0.00 1.56 1.58 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.84 4.64 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.71 4.27 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.